221093-45-4

221093-45-4 structure

Name: 17beta-estradiol-2,4,16,16,17-d5
Chemical Name: (8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Number: 221093-45-4
Molecular Formula: C₁₈H₁₉D₅O₂
Molecular Weight: 277.41
Catalog: analytical chemistry Standard standard material
Create Date: 2019-01-10 12:39:57
Modify Date: 2024-01-05 19:55:28
Estradiol-d5 is deuterium labeled Estradiol. Estradiol is a steroid sex hormone vital to the maintenance of fertility and secondary sexual characteristics in females. Estradiol upregulates IL-6 expression through the estrogen receptor β (ERβ) pathway[1][2][3].

Name	(8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
Synonyms	17\|A-Estradiol-2,4,16,16,17-d5 (17β)-(2,4,16,16,17-H)Estra-1,3,5(10)-triene-3,17-diol Estra-1,3,5(10)-triene-2,4,16,16,17-d-3,17-diol, (17β)-

Description	Estradiol-d5 is deuterium labeled Estradiol. Estradiol is a steroid sex hormone vital to the maintenance of fertility and secondary sexual characteristics in females. Estradiol upregulates IL-6 expression through the estrogen receptor β (ERβ) pathway[1][2][3].
Related Catalog	Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer Research Areas >> Endocrinology
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Harburger LL, et al. Dose-dependent effects of post-training estradiol plus progesterone treatment on object memory consolidation and hippocampal extracellular signal-regulated kinase activation in young ovariectomized mice. Neuroscience. 2009;160(1):6-12. [2]. Mermelstein PG, et al. Estradiol reduces calcium currents in rat neostriatal neurons via a membrane receptor. J Neurosci. 1996 Jan 15;16(2):595-604. [3]. Quanfu Huang, et al. 17β-estradiol Upregulates IL6 Expression Through the ERβ Pathway to Promote Lung Adenocarcinoma Progression. J Exp Clin Cancer Res. 2018 Jul 3;37(1):133. [4]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [5]. Woolley CS, et al. Estradiol increases the sensitivity of hippocampal CA1 pyramidal cells to NMDA receptor-mediated synaptic input: correlation with dendritic spine density. J Neurosci. 1997 Mar 1;17(5):1848-59. [6]. Woolley CS, et al. Estradiol mediates fluctuation in hippocampal synapse density during the estrous cycle in the adult rat. J Neurosci. 1992 Jul;12(7):2549-54. [7]. Woolley CS, et al. Roles of estradiol and progesterone in regulation of hippocampal dendritic spine density during the estrous cycle in the rat. J Comp Neurol. 1993 Oct 8;336(2):293-306.

Density	1.2±0.1 g/cm3
Boiling Point	445.9±45.0 °C at 760 mmHg
Melting Point	178-179ºC(lit.)
Molecular Formula	C₁₈H₁₉D₅O₂
Molecular Weight	277.41
Flash Point	209.6±23.3 °C
Exact Mass	277.209015
PSA	40.46000
LogP	4.13
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.599
Storage condition	?20°C

Symbol	GHS08
Signal Word	Danger
Hazard Statements	H350
Precautionary Statements	P201-P308 + P313
Personal Protective Equipment	Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	T: Toxic;
Risk Phrases	R45
Safety Phrases	53-45
RIDADR	UN 1648 3 / PGII

53866-34-5

~95%

221093-45-4

Literature: Kiuru, Paula S.; Waehaelae, Kristiina Steroids, 2006 , vol. 71, # 1 p. 54 - 60

Precursor 1
53866-34-5
DownStream 0

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